6JLG
Crystal Structure of HasAp with Co-9,10,19,20-Tetraphenylporphycene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-06 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 237.580, 92.221, 93.195 |
| Unit cell angles | 90.00, 100.96, 90.00 |
Refinement procedure
| Resolution | 45.790 - 2.500 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.830 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.249 | 1.898 |
| Number of reflections | 68363 | 4603 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM HEPES/HCl (pH7.5), 1260mM Ammonium sulfate |
